[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol

C14H11F2N5O — CID 175696376

IUPAC[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol
SMILESCc1c(C(O)c2cnccn2)nnn1-c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N5O/c1-8-13(14(22)11-7-17-4-5-18-11)19-20-21(8)12-3-2-9(15)6-10(12)16/h2-7,14,22H,1H3
InChIKeyQSMFYVUTQDKVIA-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.73
Rot. Bonds3

About [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol

[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol (PubChem CID 175696376) has the molecular formula C14H11F2N5O and a molecular weight of 303.27 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol
PubChem CID175696376
Molecular FormulaC14H11F2N5O
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol
SMILESCc1c(C(O)c2cnccn2)nnn1-c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N5O/c1-8-13(14(22)11-7-17-4-5-18-11)19-20-21(8)12-3-2-9(15)6-10(12)16/h2-7,14,22H,1H3
InChIKeyQSMFYVUTQDKVIA-UHFFFAOYSA-N
XLogP1.73
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol?
The IUPAC name of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol (CID 175696376) is [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol.
What is the SMILES notation for [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol?
The canonical SMILES for [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol is Cc1c(C(O)c2cnccn2)nnn1-c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol?
The InChIKey is QSMFYVUTQDKVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O/c1-8-13(14(22)11-7-17-4-5-18-11)19-20-21(8)12-3-2-9(15)6-10(12)16/h2-7,14,22H,1H3.
What are the key properties of [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol?
[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol has a molecular weight of 303.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-pyrazin-2-ylmethanol is sourced from PubChem (CID 175696376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).